N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C11H16N2O4S — CID 103849576

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H16N2O4S/c1-8-5-18-10(15)13(8)4-9(14)12-6-11(16)2-3-17-7-11/h5,16H,2-4,6-7H2,1H3,(H,12,14)
InChIKeyPDQBVRHUPYWMMS-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.51
Rot. Bonds4

About N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 103849576) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID103849576
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H16N2O4S/c1-8-5-18-10(15)13(8)4-9(14)12-6-11(16)2-3-17-7-11/h5,16H,2-4,6-7H2,1H3,(H,12,14)
InChIKeyPDQBVRHUPYWMMS-UHFFFAOYSA-N
XLogP-0.51
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 65114101
N-(2-hydroxy-2-methylpropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65109590
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914378
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106765719
N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 103849517
N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide
CID 103848866
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 18148622
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 103843795
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
N-(4-hydroxy-2,2-dimethylbutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 103772455
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 136521180

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 103849576) is N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is PDQBVRHUPYWMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8-5-18-10(15)13(8)4-9(14)12-6-11(16)2-3-17-7-11/h5,16H,2-4,6-7H2,1H3,(H,12,14).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 272.33 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 103849576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).